TL;DR: 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid (CAS 1259965-55-3) is a chemical compound with molecular formula C10H9ClF3NO2 and molecular weight 267.0274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[4-chloro-2-(trifluoromethyl)phenyl]propanoic acid
Also Known As: 4-CHLORO-2-(TRIFLUOROMETHYL)-DL-PHENYLALANINE, 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid, 2-amino-3-[4-chloro-2-(trifluoromethyl)phenyl]propanoic Acid, 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoicacid, 4-Chloro-2-(trifluoromethyl)-DL-phenylalanine (H-DL-Phe(4-Cl,2-CF3)-OH)
| Molecular Formula | C10H9ClF3NO2 |
| Molecular Weight | 267.0274 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0274 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)CC(C(=O)O)N |
| InChIKey | RXPDRKOMXKBBBM-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid is 1259965-55-3.
The molecular formula of 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid is C10H9ClF3NO2.
The molecular weight of 2-Amino-3-(4-chloro-2-(trifluoromethyl)phenyl)propanoic acid is 267.0274 g/mol.
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